1-(3-bromo-4-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanol

C14H16BrClN2O — CID 115566560

IUPAC1-(3-bromo-4-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanol
SMILESCCCn1ccnc1CC(O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H16BrClN2O/c1-2-6-18-7-5-17-14(18)9-13(19)10-3-4-12(16)11(15)8-10/h3-5,7-8,13,19H,2,6,9H2,1H3
InChIKeyUFOVZFZTYQTYHF-UHFFFAOYSA-N
MW343.65 g/mol
LogP3.99
Rot. Bonds5

About 1-(3-bromo-4-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanol

1-(3-bromo-4-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanol (PubChem CID 115566560) has the molecular formula C14H16BrClN2O and a molecular weight of 343.65 g/mol. Its IUPAC name is 1-(3-bromo-4-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(3-bromo-4-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanol
PubChem CID115566560
Molecular FormulaC14H16BrClN2O
Molecular Weight343.65 g/mol
Exact Mass342.01
IUPAC Name1-(3-bromo-4-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanol
SMILESCCCn1ccnc1CC(O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H16BrClN2O/c1-2-6-18-7-5-17-14(18)9-13(19)10-3-4-12(16)11(15)8-10/h3-5,7-8,13,19H,2,6,9H2,1H3
InChIKeyUFOVZFZTYQTYHF-UHFFFAOYSA-N
XLogP3.99
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.65
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-bromo-4-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chloro-4-iodophenyl)-2-(1-propylimidazol-2-yl)ethanol
CID 103216978
2-(1-propylimidazol-2-yl)-1-quinoxalin-6-ylethanol
CID 79752733
1-(3-fluorophenyl)-2-(1-propylimidazol-2-yl)ethanol
CID 79744778
1-(2-chloro-4-methylphenyl)-2-(1-propylimidazol-2-yl)ethanol
CID 106859395
N-[1-(3-bromo-4-chlorophenyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
CID 115567715
1-(5-chlorofuran-2-yl)-2-(1-propylimidazol-2-yl)ethanol
CID 106693891
1-(2-amino-5-bromophenyl)-2-(1-propylimidazol-2-yl)ethanol
CID 82703490
1-(1-methylpyrazol-3-yl)-2-(1-propylimidazol-2-yl)ethanol
CID 79753116
1-(2-amino-4-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanol
CID 79752627
1-(5-chloro-1-methylimidazol-2-yl)-2-(1-propylimidazol-2-yl)ethanol
CID 114239445
1-(4-bromo-2-methoxyphenyl)-2-(1-propylimidazol-2-yl)ethanol
CID 115821013
1-(3-bromo-4-chlorophenyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine
CID 115567453

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanol?
The IUPAC name of 1-(3-bromo-4-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanol (CID 115566560) is 1-(3-bromo-4-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanol.
What is the SMILES notation for 1-(3-bromo-4-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanol?
The canonical SMILES for 1-(3-bromo-4-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanol is CCCn1ccnc1CC(O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanol?
The InChIKey is UFOVZFZTYQTYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClN2O/c1-2-6-18-7-5-17-14(18)9-13(19)10-3-4-12(16)11(15)8-10/h3-5,7-8,13,19H,2,6,9H2,1H3.
What are the key properties of 1-(3-bromo-4-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanol?
1-(3-bromo-4-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanol has a molecular weight of 343.65 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanol is sourced from PubChem (CID 115566560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).